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. 2023 Sep 5;11:1218588. doi: 10.3389/fchem.2023.1218588

TABLE 4.

TOPKAT prediction of the tested alkamides from Piper nigrum fruits.

Compound Ames prediction Rat oral LD50 Rat chronic LOAEL Skin irritancy Ocular irritancy Rat male FDA Rat female FDA
1 Non-mutagen 0.699537 0.00656405 Mild Mild Non-carcinogen Non-carcinogen
2 Non-mutagen 0.773324 0.00559316 Mild Mild Non-carcinogen Non-carcinogen
3 Non-mutagen 1.07948 0.00295513 Severe None Non-carcinogen Non-carcinogen
4 Non-mutagen 0.960009 0.00301254 Mild Mild Non-carcinogen Non-carcinogen
5 Non-mutagen 1.63813 0.00248574 Severe None Non-carcinogen Non-carcinogen
6 Non-mutagen 1.26178 0.00255341 Mild None Non-carcinogen Non-carcinogen
7 Non-mutagen 0.831267 0.0163319 Mild Mild Non-carcinogen Non-carcinogen
8 Non-mutagen 1.15027 0.00755798 Mild Mild Non-carcinogen Non-carcinogen
9 Non-mutagen 1.99221 0.00801701 Mild None Non-carcinogen Non-carcinogen
10 Non-mutagen 2.63527 0.011869 Mild None Non-carcinogen Non-carcinogen
11 Non-mutagen 2.69314 0.0546533 Mild None Non-carcinogen Non-carcinogen
12 Non-mutagen 1.47311 0.00205941 Severe Severe Non-carcinogen Non-carcinogen
12 Non-mutagen 2.22155 0.0115162 Mild None Non-carcinogen Non-carcinogen
13 Non-mutagen 2.4754 0.0239389 Mild None Non-carcinogen Non-carcinogen
14 Non-mutagen 2.26097 0.0337304 Mild None Non-carcinogen Single-carcinogen
15 Non-mutagen 2.24329 0.0163692 Mild None Non-carcinogen Non-carcinogen
16 Non-mutagen 2.07479 0.0230936 Mild None Non-carcinogen Non-carcinogen
17 Non-mutagen 2.12355 0.182032 Mild None Non-carcinogen Non-carcinogen
18 Mutagen 0.871606 0.040755 None Mild Multi-carcinogen Non-carcinogen
19 Non-mutagen 3.77773 0.00916935 Severe None Non-carcinogen Non-carcinogen
20 Mutagen 2.20834 0.296757 None Mild Multi-carcinogen Non-carcinogen
21 Mutagen 0.58896 0.178629 None Mild Single-carcinogen Non-carcinogen
22 Mutagen 0.739978 0.207833 None Mild Single-carcinogen Single-carcinogen
23 Non-mutagen 2.68972 0.0248511 Mild None Non-carcinogen Non-carcinogen
24 Non-mutagen 0.720878 0.0463523 Severe Severe Non-carcinogen Non-carcinogen
25 Non-mutagen 3.52932 0.045389 Mild None Non-carcinogen Single-carcinogen
26 Non-mutagen 0.134026 0.000322202 Mild Mild Non-carcinogen Non-carcinogen
27 Non-mutagen 1.85205 0.0025682 Severe None Non-carcinogen Non-carcinogen
28 Non-mutagen 1.5891 0.0311345 Mild Severe Non-carcinogen Single-carcinogen
29 Non-mutagen 5.76115 0.0157735 None Severe Non-carcinogen Non-carcinogen
30 Non-mutagen 1.32768 0.105859 None Severe Non-carcinogen Non-carcinogen
31 Non-mutagen 0.147778 0.000209789 Mild Mild Non-carcinogen Non-carcinogen
32 Non-mutagen 0.442598 0.000262114 Mild Severe Non-carcinogen Non-carcinogen
33 Non-mutagen 2.63857 0.00543712 Mild None Non-carcinogen Non-carcinogen
34 Non-mutagen 1.54443 0.00765291 Mild Severe Non-carcinogen Non-carcinogen
35 Non-mutagen 0.773324 0.00559316 Mild Mild Non-carcinogen Non-carcinogen
36 Non-mutagen 0.922921 0.0139764 Mild Mild Non-carcinogen Non-carcinogen
37 Non-mutagen 1.15027 0.00755798 Mild Mild Non-carcinogen Non-carcinogen
38 Non-mutagen 0.257543 0.00739208 Mild Mild Non-carcinogen Non-carcinogen
39 Non-mutagen 1.37968 0.00425613 Mild None Non-carcinogen Non-carcinogen
40 Non-mutagen 1.78122 0.00412023 Severe None Non-carcinogen Non-carcinogen
41 Non-mutagen 0.11136 0.00362488 None Mild Multi-carcinogen Multi-carcinogen
42 Non-mutagen 2.62323 0.00647272 Mild None Non-carcinogen Non-carcinogen
43 Non-mutagen 2.67955 0.025341 None Severe Non-carcinogen Non-carcinogen
44 Non-mutagen 1.75339 0.154136 None Severe Non-carcinogen Non-carcinogen
45 Non-mutagen 1.75339 0.154136 None Severe Non-carcinogen Non-carcinogen
46 Non-mutagen 0.743252 0.0132063 Severe Mild Multi-carcinogen Non-carcinogen
47 Non-mutagen 2.7863 0.059828 Severe Mild Non-carcinogen Single-carcinogen
48 Non-mutagen 2.89133 0.0793748 Severe Mild Non-carcinogen Single-carcinogen
49 Non-mutagen 3.12925 0.0580334 Mild None Non-carcinogen Single-carcinogen
50 Non-mutagen 3.36806 0.0179123 Mild Severe Non-carcinogen Non-carcinogen
51 Non-mutagen 1.82564 0.0184801 Mild None Non-carcinogen Single-carcinogen
53 Non-mutagen 3.35849 0.127313 Severe Mild Non-carcinogen Non-carcinogen
54 Mutagen 1.01416 0.22397 None Mild Multi-carcinogen Non-carcinogen
55 Non-mutagen 4.81789 0.0635814 Mild None Non-carcinogen Single-carcinogen
56 Non-mutagen 1.04811 0.00760525 Severe Severe Non-carcinogen Non-carcinogen
57 Non-mutagen 0.699537 0.00656405 Mild Mild Non-carcinogen Non-carcinogen
58 Non-mutagen 0.699537 0.00656405 Mild Mild Non-carcinogen Non-carcinogen
59 Non-mutagen 0.699537 0.00656405 Mild Mild Non-carcinogen Non-carcinogen